thallium(3+) ion triacetate

• ChemBase ID: 112088
• Molecular Formular: C6H9O6Tl
• Molecular Mass: 381.51536
• Monoisotopic Mass: 382.01434001
• SMILES: [Tl+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[O-]C(=O)C.[Tl+3]
• InChI: InChI=1S/3C2H4O2.Tl/c3*1-2(3)4;/h3*1H3,(H,3,4);/q;;;+3/p-3
• InChIKey: SMRRYUGQTFYZGD-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: thallium(3+) ion triacetate
• IUPAC Traditional name: thallium, ion tris(acetate ion); thallium(3+) ion triacetate
• Synonyms: THALLIUM ACETATE (IC); Thallic acetate; Thallium(III) acetate hydrate; 乙酸铊(III)

Database IDs

• CAS Number: 2570-63-0
• EC Number: 219-913-2
• MDL Number: MFCD00008698
• Beilstein Number: 3693590
• PubChem SID: 162097200
• PubChem CID: 21915946

CALCULATED PROPERTIES

• Acid pKa: 4.54344
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• Molar Refractivity: 23.4808 cm^3
• Polarizability: 4.912116 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 182^o dec.

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: UN1707
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 26/28-33-51/53; R:26/28-33
• Safety Statements: 13-28-45-61; S:13-28-45
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Hazard statements: H300-H330-H373-H411
• GHS Precautionary statements: P260-P301+P310-P304+P340-P320-P330-P405-P501A

DETAILS

MP Biomedicals - 05222508

MP Biomedicals Rare Chemical collection